4-[(E)-3-(4-chloranyl-3-nitro-phenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-3-(4-chloranyl-3-nitro-phenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-3-(4-chloro-3-nitro-phenyl)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-3-(4-chloro-3-nitrophenyl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-3-(4-chloro-3-nitrophenyl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-3-(4-chloro-3-nitro-phenyl)-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C16H10ClN2O7- MolecularWeight: 377.7128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=CC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H11ClN2O7/c1-26-15-7-9(6-13(16(15)21)19(24)25)2-5-14(20)10-3-4-11(17)12(8-10)18(22)23/h2-8,21H,1H3/p-1/b5-2+